(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol

C8H9F3O — CID 143407155

IUPAC(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C(/C)C(F)(F)F
InChIInChI=1S/C8H9F3O/c1-3-4-7(12)5-6(2)8(9,10)11/h3-5,12H,1H2,2H3/b6-5+,7-4+
InChIKeyUIRGIGKWZWRQRZ-HVUXDCMCSA-N
MW178.15 g/mol
LogP3.12
Rot. Bonds2

About (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol

(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol (PubChem CID 143407155) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
PubChem CID143407155
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C=C(/C)C(F)(F)F
InChIInChI=1S/C8H9F3O/c1-3-4-7(12)5-6(2)8(9,10)11/h3-5,12H,1H2,2H3/b6-5+,7-4+
InChIKeyUIRGIGKWZWRQRZ-HVUXDCMCSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3E)-2-amino-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-1,3,5-triene-1-thiol
CID 89426000
(E)-N-[(2Z)-2-aminopenta-2,4-dienyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 121464234
(3Z,5E,6E)-1,1,1,8,8-pentafluoro-4-hydroxy-7-methyl-5-prop-2-enylidenedeca-3,6-dien-2-one
CID 162686711
(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 171826400
(3E,5E)-7,7-difluoro-N,6-dimethylocta-1,3,5-trien-4-amine
CID 168926091
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
CID 88563032
(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene
CID 143258494
(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 144776103
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
CID 130203930
(3E,5E)-4,6-difluorohepta-1,3,5-triene
CID 142874217

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol?
The IUPAC name of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol (CID 143407155) is (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol.
What is the SMILES notation for (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol?
The canonical SMILES for (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol is C=C/C=C(O)\C=C(/C)C(F)(F)F.
What is the InChIKey of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol?
The InChIKey is UIRGIGKWZWRQRZ-HVUXDCMCSA-N. The full InChI is InChI=1S/C8H9F3O/c1-3-4-7(12)5-6(2)8(9,10)11/h3-5,12H,1H2,2H3/b6-5+,7-4+.
What are the key properties of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol?
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol has a molecular weight of 178.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol is sourced from PubChem (CID 143407155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).